4,4'-Didecanoyloxydiphenyldiacetylene
Basic information
- CAS
92341-28-1- Standard SMILES
CCCCCCCCCC(=O)Oc1ccc(C#CC#Cc2ccc(OC(=O)CCCCCCCCC)cc2)cc1- InChIKey
PBQTWTYWXMTXRB-UHFFFAOYSA-N- Molecular formula
- C36H46O4
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.33960994
Names & identifiers
- Preferred name
- 4,4'-Didecanoyloxydiphenyldiacetylene
- IUPAC
- [4-[4-(4-decanoyloxyphenyl)buta-1,3-diynyl]phenyl] decanoate
Names & synonyms
4,4'-Didecanoyloxydiphenyldiacetylene92341-28-1DTXSID70238979(Buta-1,3-diyne-1,4-diyl)di(4,1-phenylene) didecanoate
Database identifiers
- CAS
92341-28-1- PubChem CID
- 145241
- DTXSID
DTXSID70238979
Properties
Computed structural properties
- XLogP
- 12
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 23
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 748
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Compound notes
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